Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.6369   -0.1812   -0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9093   -0.0270    0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553    1.2022    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    0.8710    0.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.1983   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -0.0824   -1.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -0.1704   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642   -1.0688    1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7723   -0.9253   -1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013    1.0444   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    0.5746   -1.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348   -1.0748   -0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210   -0.7780    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    1.8896   -0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793    1.7292    1.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -2.1014    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4999   -0.6910    1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -1.1323    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216   -0.2289   -2.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087   -1.7399   -1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732   -1.3514   -1.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287    1.1607   -0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468    0.9027    0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674    1.9803    0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers